Scaffold decoration on CrossDock-SBDD
100ValidityAutoFragDiff
Evaluation Results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| AutoFragDiffReq. Ref. Pose=true2025.12 | 100 | -4.61 | -4.6 | -4.95 | -5.4 | -3.95 | 60 | |
| ACEReq. Ref. Pose=false, w (bump parameter weight)=1.22025.12 | 100 | -5.04 | -5.05 | -5.08 | -5.15 | -4.95 | 100 | |
| ACEReq. Ref. Pose=false, w (bump parameter weight)=1.32025.12 | 100 | -4.68 | -4.75 | -4.78 | -4.85 | -4.35 | 90 | |
| NRPath Validity=O, Guidance Scale (w)=1.02025.12 | 100 | -3.61 | -1.85 | -2.6 | -4.1 | -1.8 | 50 | |
| NRPath Validity=X, Guidance Scale (w)=1.22025.12 | 100 | -4.01 | -4 | -4.21 | -4.4 | -3.55 | 40 | |
| FKCPath Validity=O, Guidance Scale (w)=1.02025.12 | 100 | -2.28 | -1.85 | -2.6 | -4.1 | -1.8 | 50 | |
| FKCPath Validity=X, Guidance Scale (w)=1.42025.12 | 100 | -4.16 | -4.1 | -4.25 | -4.45 | -4 | 50 | |
| ACEPath Validity=O, Guidance Scale (w)=1.02025.12 | 100 | -2.28 | -1.85 | -2.6 | -4.1 | -1.8 | 50 | |
| ACEPath Validity=O, Guidance Scale (w)=1.12025.12 | 100 | -4.88 | -4.9 | -4.93 | -5 | -4.7 | 100 | |
| ACEPath Validity=O, Guidance Scale (w)=1.22025.12 | 100 | -5.04 | -5.05 | -5.08 | -5.15 | -4.95 | 100 | |
| ACEPath Validity=O, Guidance Scale (w)=1.32025.12 | 100 | -4.68 | -4.75 | -4.78 | -4.85 | -4.35 | 90 | |
| NRPath Validity=X, Guidance Scale (w)=1.12025.12 | 99.1 | -3.65 | -4.05 | -4.33 | -4.6 | -1.5 | 40 | |
| FKCPath Validity=X, Guidance Scale (w)=1.12025.12 | 98.1 | -3.4 | -4.15 | -4.28 | -4.4 | -2.05 | 30 | |
| FKCPath Validity=X, Guidance Scale (w)=1.22025.12 | 98.1 | -3.04 | -3.7 | -3.85 | -4.05 | 0 | 40 | |
| NRPath Validity=X, Guidance Scale (w)=1.32025.12 | 97.15 | -2.68 | -3.69 | -3.94 | -4.15 | 0 | 30 | |
| NRPath Validity=X, Guidance Scale (w)=1.42025.12 | 96.2 | -2.36 | -1.7 | -3.38 | -4.3 | 0 | 20 | |
| ACEPath Validity=O, Guidance Scale (w)=1.42025.12 | 96.2 | -2.9 | -2.5 | -3.2 | -4.6 | -2.45 | 60 | |
| DiffDecReq. Ref. Pose=true2025.12 | 95.2 | -1.76 | -2.55 | -2.93 | -3.35 | 0 | 30 | |
| FKCPath Validity=X, Guidance Scale (w)=1.32025.12 | 95.2 | -2.39 | -2.4 | -2.45 | -2.55 | -2.25 | 50 | |
| DeleteReq. Ref. Pose=true2025.12 | 93.3 | -4.98 | -4.95 | -5.23 | -5.65 | -4.55 | 100 |